quantitative structure activity relationships for skin corrosivity and sensitization
Báo cáo khoa học: Structure–activity relation for synthetic phenoxazone drugs Evidence for a direct correlation between DNA binding and pro-apoptotic activity pdf
... is a convenient and informative method for obtaining direct data on the thermal stability of drug–DNA complexes Such information is crucial to the rational design of drugs and for determing the ... changes in both their anti-tumour activity and DNAbinding properties, providing unambiguous evidence of a marked structure activity relation Materials and methods Drugs and DNA A series of actinomycin ... of molecules for investigating structure activity relations They also provide some of the basic molecular requirements for the search for compounds of greater biological potency and efficacy Acknowledgements...
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Multi target selection and high throughput quantitative structure activity relationship model development
... my wonderful parents and families for their everlasting love and support I could never thank my parents more for their love for me and for them raising me up as a strong and decent young woman ... organize, and manipulate data effectively and efficiently By integrating databases and web sites, users and clients can open up possibilities for data access and dynamic web content An integrated information ... QSAR models are constructed via chemspace-wide activity regression and tested on DHFR, ACE and Cox2 inhibitors, and further applied for searching for dual inhibitors of the four combinations of...
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Tài liệu Báo cáo khoa học: Structure-activity relationships of a-conotoxins targeting neuronal nicotinic acetylcholine receptors ppt
... representations of ImI and PnIA (A) The three-dimensional structure of ImI The heavy atoms are shown in stick format and the residues reported as important for a7-subtype activity at the neuronal ... specificity and potency, A10 and N11, are shown in pink and labeled Residues 4–7 and 9–10 in the closely related PnIB have also been shown to influence activity [38] identified as important for biological ... position 12 (Table 1) appears to contribute to a4b2 and a7 subtype activity but not a3b2 activity A decrease in a4b2 and a7 subtype activity but not a3b2 activity was observed in the [R12A]GID mutant...
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Báo cáo khoa học: Structure–activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken docx
... initial structures, and 20 best structures with the lowest energy were selected and analyzed with molmol [48] and procheck-nmr [19] Structure figures were generated by using molmol The structures of ... between 10 and 16 for the sample containing LPS only, DD2 represents the difference in absorbance between 10 and 16 for the samples containing LPS and different concentrations of peptides, and DD3 ... Rodney Geisert, and anonymous reviewers for critical reading of the manuscript and constructive comments We also thank Steve Hartson for helping with mass spectrometry and Amar Patil for Tris-Tricine...
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Báo cáo y học: "yrGATE: a web-based gene-structure annotation tool for the identification and dissemination of eukaryotic genes" pdf
... annotation information that can be queried and is in a standard format [32,33] The abundance of DAS servers for a variety of organisms provides rich and diverse sources of input for the yrGATE ... a coordinate structure into the mRNA structure field (6 in Figure 2a) The format for specifying an mRNA structure follows the conventional notation of designating exons by start and end coordinates ... on the forward strand (approximately 8688700086934000; in Figure 5b) and another gene on the reverse strand (approximately 86853000-86975000; in Figure 5b) The gene on the forward strand (1 in...
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Báo cáo khoa học: Identification of a preferred substrate peptide for transglutaminase 3 and detection of in situ activity in skin and hair follicles pdf
... Assessment of reactivity and specificity of E51 sequence in the peptide form (pepE51) To assess the reactivity and isozyme-specificity of E51 (PPPYSFYQSRWV) in peptide form, biotinylated peptides for E51 ... situ activity of TGase in both mouse and human skin [16,19] Therefore, using a similar procedure, fluorescent-labeled E51 peptide (FITC–pepE51) was prepared and evaluated for detecting in situ activity ... to detect in situ enzymatic activity in both human and mouse skin [16,19] These studies have provided new insight into the substrate specificity of Tgases and have expanded the range of application...
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Design, optimization and structure activity relationship study of CD2 derived peptides for immunomodulation
... immunomodulation 14 1.3.1 CD2 structure 15 1.3.2 CD2 ligands and ligand binding sites 16 1.3.3 Properties of CD2-ligand interactions 17 1.3.4 Structural basis for CD2-ligand interactions 18 1.3.5 ... interface β-strands (CC’, C’C’’ and FG loop) The parent peptides were then subjected to truncation and alanine scanning for optimization Finally, the biological activity and secondary structure of ... hCD2 and CD58 indicated that a significant number of charged residues and three hydrophobic residues form the interaction area involving mainly the C, C’ and C’’ β-strands and the FG, CC’, and...
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Computational methods for structure activity relationship analysis and activity prediction
... Heterogeneous Structure- Activity Relationships and Variable Activity Landscapes Chemistry and Biology 2007, 14, 489–497 [33] Peltason, L.; Bajorath, J SAR Index: Quantifying the Nature of StructureActivity ... Propensity to Form Multi-Target Activity Cliffs Journal of Chemical Information and Modeling 2010, 50, 500–510 [17] Vogt, M.; Huang, Y.; Bajorath, J From Activity Cliffs to Activity Ridges: Informative ... potential candidates for further exploration Therefore, the SARM data structure provides a link between descriptive SAR analysis and prospective compound design Predictive Approaches Activity landscapes...
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Tài liệu Activity 5.3: Identifying Attributes and Relationships ppt
... services, and attributes that may not have been explicitly listed in the usage scenario Activity 5.3: Identifying Attributes and Relationships 35 Exercise 2: Identifying Business Object Relationships ... that the relationships can be diagrammed Either write directly on the flip chart or use another set of self-stick notes to indicate the relationships between objects For interaction type relationships, ... min) ! Identify candidate relationships Participate in small groups as assigned by the instructor Review the future-state consultant usage scenario Analyze the usage scenario for verbs that describe...
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Tài liệu Báo cáo khoa học: Second messenger function and the structure–activity relationship of cyclic adenosine diphosphoribose (cADPR) doc
... investigation in the future Structure activity relationship of cADPR In-depth reviews covering the chemistry and biological activity of many cADPR analogues have been published [16,53–55] and the reader interested ... permeabilized T-cells and induced both local and global Ca2+ signalling in intact T-cells [46] 8-Azido- and 8-NH2-cIDPRE performed similarly (Fig 4) whereas the halogenated compounds 8-Br- and 8-Cl-cIDPRE ... hypoxanthine) and the diphospho-bridge, as they can be replaced by much simpler ether strands These ether strands mimic the distance between the nucleobase and the diphospho-bridge, but on the other hand...
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Báo cáo khoa học: The N-terminal hybrid binding domain of RNase HI from Thermotoga maritima is important for substrate binding and Mg2+-dependent activity pot
... of cm and an A280 value for 0.1% (1 mgÆmL)1) solution of 1.79 for Tma-RNase HI, 1.75 for Tma-CD, 1.85 for Tma-ND, 1.58 for Tma-W22A, 2.0 for Eco-RNase HI, 0.97 for Sto-RNase HI and 0.56 for Tk-RNase ... soluble form and were purified to give a single band on SDS ⁄ PAGE (Fig 2) The amount of the protein purified from 1L culture was approximately 35 mg for Tma-RNase HI, 15 mg for Tma-CD and 30 mg for ... contents are 37% for HBD and 21% for RNase H domain, whereas the a-helix contents of these domains are similar to each other (39% for HBD and 38% for RNase H domain) Enzymatic activity The dependencies...
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Báo cáo khoa học: Replacement of two invariant serine residues in chorismate synthase provides evidence that a proton relay system is essential for intermediate formation and catalytic activity docx
... rate of chorismate formation was six- and 70-fold lower for the Ser127Ala and Ser16Ala mutant proteins, respectively, than for the wild-type enzyme, as shown in Table The residual activity of the ... hyperbolic dependency, Michaelis–Menten parameters of 14, 14, and lm were calculated for the wild-type protein and for the Ser16Ala, Ser127Ala and Ser16AlaSer127Ala mutant proteins, respectively These ... the activity of the mutant proteins in comparison to the wild-type enzyme Under these conditions, we measured a residual activity of 2% for the Ser16Ala single-mutant protein and of 12% for...
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Báo cáo khoa học: Crystal structure of the parasite inhibitor chagasin in complex with papain allows identification of structural requirements for broad reactivity and specificity determinants for target proteases pptx
... Fo|)|Fc| | ⁄ for h |Fo| all reflections, where Fo and Fc are observed and calculated structure factors, respectively Rfree is calculated analogously for the test reflections, randomly selected and excluded ... cathepsin L and cathepsin B complexes (Fig 3B) For papain, this is the contact of S21e, for cathepsin L the contacts of Y72e and E141e, and for cathepsin B the contacts of E194e and D224e with ... ˚ and is 853 and 922 A2 for the cystatin B–papain and chagasin–papain complexes, respectively The three crucial residues of loop L6 of chagasin (R91, P92 and W93) correspond to L102, P103 and...
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Nutrition and Physical Activity Guidelines for Gynecological Cancer Survivors ppt
... high-fat foods, and increasing physical activity can help lower weight and reduce body fatness Body Mass Index (BMI) • • • BMI is calculated from a person’s height and weight and can be a reliable ... (813)-745-6866 Physical Activity Goal: 30 minutes of moderate physical activity or more days a week! • • • Physical activity in any form protects against certain types of cancer and against weight ... to meat Starchy vegetables like potato, yam, and cassava are also included in a plant-based diet as are nuts and seeds Nuts and seeds provide protein and heart-health fats, but have a higher energy...
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Báo cáo khoa học: Structure–cytotoxicity relationships in bovine seminal ribonuclease: new insights from heat and chemical denaturation studies on variants ppt
... 59.4 °C for BS-RNase and 59.0 °C for hA-BS-RNase, i.e very close to each other In turn, significantly lower, and comparable, Tm values of 54.3 °C and 53.6 °C were found for S80-hA-BS-RNase and S80-BS-RNase, ... Stability activity relationships in a cytotoxic dimeric ribonuclease Stability of NCD versus monomeric forms In the search for the molecular basis for the induction of the loss of cytotoxic activity ... lm for the monomers and lm for the dimers The excitation wavelength was set at 274 nm, and the emission was measured between 250 and 400 nm The spectra were recorded at °C with a cm cell and...
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Báo cáo khoa học: Identification of preferred substrate sequences for transglutaminase 1 – development of a novel peptide that can efficiently detect cross-linking enzyme activity in the skin pot
... effect on the reactivity of the peptide Assessment of the K5 sequence for reactivity and specificity in the peptide form To assess the reactivity and specificity of K5 in the peptide form, biotinylated ... The preferred substrate sequence for TGase conformed to the consensus motif QxR ⁄ KwxxxWP, whereas those for TGase and Factor XIIIa conform to the motifs QxPwDP and QxxwxWP, respectively A hydrophobic ... (FITC-pepK5 and FITCpepK5QN) were synthesized, and skin sections were prepared from wild-type and TGase 1-null mice using standard methods [20] The frozen sections were dissected into 3-lm slices and...
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Normalization of two-channel microarrays accounting for experimental design and intensity-dependent relationships pot
... presence and direction of differential expression interactions RNA amounts xi2, i = 1,2, ,5000, for group were randomly generated uniformly between and 10; as described in the 'Model formulation' ... randomly selected to be null, with xi1 = xi2 For the remaining 30% of differentially expressed genes, RNA amounts for group were set equal to RNA amounts for group 2, plus random deviates uniformly ... can be characterized by a standard design matrix Z with rows for each array channel and columns for the comparison groups, dyes, and arrays Specifically, with n arrays and p comparison groups, define...
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ENVIRONMENTAL AESTHETICS AND PSYCHOLOGICAL WELLBEING: RELATIONSHIPS BETWEEN PREFERENCE JUDGEMENTS FOR URBAN LANDSCAPES AND OTHER RELEVANT AFFECTIVE RESPONSES pot
... attractiveness of woodlands: Perceptions of forest landowners in Massachusetts Forest Science, 25, 495-506 Chokor, B.A and Mene, S (1992) An assessment of Preference for Landscapes in the Developing ... of and/ or contact with landscapes of high aesthetic value (see, for example, the work of Ulrich, 1982, 1984, 1986 and 1991; Parsons, 1991; Parsons, Tassinary, Ulrich, Hebl and GrossmanAlexander, ... high, the responses of “comfortable” (r = 58 and 66, p
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